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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	S_21_P_1_21_F_1_P_1_21_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-844.03769973; Eh
	28-Feb-2026	S_20_P_1_20_O_P_1_20_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-741.29682126; Eh
	28-Feb-2026	S_20_R_1_20_R_1_20_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-665.51613037; Eh
	28-Feb-2026	S_21_P_1_21_F_P_1_21_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-944.04917870; Eh
	28-Feb-2026	S_21_P_1_21_F_1_P_1_21_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-844.15534358; Eh
	28-Feb-2026	S_21_P_1_21_F_1_P_1_21_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-844.15534706; Eh
	28-Feb-2026	S_20_P_1_20_O_P_1_20_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-741.35013017; Eh
	28-Feb-2026	S_20_R_1_20_R_1_20_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-665.55548210; Eh
	28-Feb-2026	S_20_R_1_20_R_1_20_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-665.55549657; Eh
	28-Feb-2026	S_26_P_1_26_O_P_1_26_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1505.99921093; Eh

Results 391621-391630 of 402241 (Search time: 0.214 seconds).